N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide

C13H20FNO3S — CID 122470417

IUPACN-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(F)c1OC
InChIInChI=1S/C13H20FNO3S/c1-6-19(16,17)15-11-8-9(13(2,3)4)7-10(14)12(11)18-5/h7-8,15H,6H2,1-5H3
InChIKeySFHSBRFUPZGKIX-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.89
Rot. Bonds4

About N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide

N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide (PubChem CID 122470417) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide
PubChem CID122470417
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(F)c1OC
InChIInChI=1S/C13H20FNO3S/c1-6-19(16,17)15-11-8-9(13(2,3)4)7-10(14)12(11)18-5/h7-8,15H,6H2,1-5H3
InChIKeySFHSBRFUPZGKIX-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide (CID 122470417) is N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(C(C)(C)C)cc(F)c1OC.
What is the InChIKey of N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide?
The InChIKey is SFHSBRFUPZGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-6-19(16,17)15-11-8-9(13(2,3)4)7-10(14)12(11)18-5/h7-8,15H,6H2,1-5H3.
What are the key properties of N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide?
N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide has a molecular weight of 289.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-3-fluoro-2-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 122470417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).